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1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylcyclohexyl isohexyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylcyclohexyl isohexyl ester
SpectraBase Compound ID IpOXQh2z7dZ
InChI InChI=1S/C22H38O4/c1-15(2)8-7-11-25-21(23)19-9-5-6-10-20(19)22(24)26-18-13-16(3)12-17(4)14-18/h15-20H,5-14H2,1-4H3
InChIKey NJNRLUXBESLGST-UHFFFAOYSA-N
Mol Weight 366.5 g/mol
Molecular Formula C22H38O4
Exact Mass 366.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8jW1ijACSal
Name 1,2-Cyclohexanedicarboxylic acid, 3,5-dimethylcyclohexyl isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.277009700 u
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-15(2)8-7-11-25-21(23)19-9-5-6-10-20(19)22(24)26-18-13-16(3)12-17(4)14-18/h15-20H,5-14H2,1-4H3
InChIKey NJNRLUXBESLGST-UHFFFAOYSA-N
Molecular Weight 366.542 g/mol
SMILES C1(CC(CC(C1)C)C)OC(C1CCCCC1C(OCCCC(C)C)=O)=O